Geometric and potential driving formation and evolution of biomolecular surfaces
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Publication:843299
Biochemistry, molecular biology (92C40) Optimization of shapes other than minimal surfaces (49Q10) Minimal surfaces in differential geometry, surfaces with prescribed mean curvature (53A10) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Classical flows, reactions, etc. in chemistry (92E20)
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Cites work
- scientific article; zbMATH DE number 490080 (Why is no real title available?)
- scientific article; zbMATH DE number 1796913 (Why is no real title available?)
- 3D curves reconstruction based on deformable models
- A Level Set Formulation for the Solution of the Dirichlet Problem for Hamilton–Jacobi Equations
- A direct method for solving an anisotropic mean curvature flow of plane curves with an external force
- A general framework for low level vision
- A level set formulation for Willmore flow
- A numerical method for computing minimal surfaces in arbitrary dimension
- A variational level set approach to multiphase motion
- Analysis of a fully discrete finite element method for the phase field model and approximation of its sharp interface limits
- Axioms and variational problems in surface parameterization
- Computing minimal surfaces via level set curvature flow
- Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation
- Discrete surface modelling using partial differential equations
- Evolution, implementation, and application of level set and fast marching methods for advancing fronts
- Existence and uniqueness of weak solutions for a fourth-order nonlinear parabolic equation
- Feature-Oriented Image Enhancement Using Shock Filters
- Fourth-order partial differential equations for noise removal
- Fronts propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulations
- Geodesic active contours
- Geometric fairing of irregular meshes for free-form surface design
- High-Order Total Variation-Based Image Restoration
- Image sharpening by flows based on triple well potentials
- Incorporating topological derivatives into shape derivatives based level set methods
- Level set methods: An overview and some recent results
- Low‐curvature image simplifiers: Global regularity of smooth solutions and Laplacian limiting schemes
- Modelling and simulations of multi-component lipid membranes and open membranes via diffuse interface approaches
- Noise removal using fourth-order partial differential equation with applications to medical magnetic resonance images in space and time
- Nonlinear total variation based noise removal algorithms
- Optimal approximations by piecewise smooth functions and associated variational problems
- Quality meshing of implicit solvation models of biomolecular structures
- Semi-implicit level set methods for curvature and surface diffusion motion
- Subjective surfaces: A geometric model for boundary completion
- The Motion of a Surface by Its Mean Curvature. (MN-20)
- The Surface Diffusion Flow for Immersed Hypersurfaces
- The Willmore flow near spheres.
- The heat equation shrinking convex plane curves
- The volume preserving mean curvature flow.
- Traveling Wave Solutions of Fourth Order PDEs for Image Processing
- \(H^ 1\) solutions of a class of fourth order nonlinear equations for image processing.
Cited in
(34)- Mode decomposition evolution equations
- A constrained variational model of biomolecular solvation and its numerical implementation
- A unified discontinuous Galerkin framework for time integration
- Multiscale molecular dynamics using the matched interface and boundary method
- High-order fractional partial differential equation transform for molecular surface construction
- A matched Peaceman-Rachford ADI method for solving parabolic interface problems
- Differential geometry based solvation model II: Lagrangian formulation
- Partial differential equation transform -- variational formulation and Fourier analysis
- Pseudo-time-coupled nonlinear models for biomolecular surface representation and solvation analysis
- Multiscale geometric modeling of macromolecules. I: Cartesian representation
- Multiscale models of compact bone
- Stability of a Cylindrical Solute-Solvent Interface: Effect of Geometry, Electrostatics, and Hydrodynamics
- Fully implicit ADI schemes for solving the nonlinear Poisson-Boltzmann equation
- A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states
- Object-oriented persistent homology
- Dynamic maintenance of molecular surfaces under conformational changes
- Second-order Poisson-Nernst-Planck solver for ion transport
- Differential geometry based multiscale models
- Operator splitting ADI schemes for pseudo-time coupled nonlinear solvation simulations
- On developing stable finite element methods for pseudo-time simulation of biomolecular electrostatics
- Biomolecular surface construction by PDE transform
- Quantum dynamics in continuum for proton transport. II: Variational solvent-solute interface
- On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary
- Differential geometry based solvation model. I: Eulerian formulation
- A matched alternating direction implicit (ADI) method for solving the heat equation with interfaces
- A topological approach for protein classification
- A new approach to constrained total variation solvation models and the study of solute-solvent interface profiles
- A regularization approach for solving the super-Gaussian Poisson-Boltzmann model with heterogeneous dielectric functions
- Convergence of a diffuse interface Poisson-Boltzmann (PB) model to the sharp interface PB model: a unified regularization formulation
- Explicit-solute implicit-solvent molecular simulation with binary level-set, adaptive-mobility, and GPU
- The mass-preserving solution-flux scheme for multi-layer interface parabolic equations
- Numerical methods for solvent Stokes flow and solute-solvent interfacial dynamics of charged molecules
- Minimization and Eulerian formulation of differential geometry based nonpolar multiscale solvation models
- Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential
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